N-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C18H18ClN3O3 — CID 146441958

IUPACN-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCCN1CCn2c(ccc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O
InChIInChI=1S/C18H18ClN3O3/c1-2-21-9-10-22-15(18(21)25)8-7-14(17(22)24)16(23)20-11-12-3-5-13(19)6-4-12/h3-8H,2,9-11H2,1H3,(H,20,23)
InChIKeyOGBXKHUJTZGECB-UHFFFAOYSA-N
MW359.81 g/mol
LogP1.91
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

N-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 146441958) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID146441958
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCCN1CCn2c(ccc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O
InChIInChI=1S/C18H18ClN3O3/c1-2-21-9-10-22-15(18(21)25)8-7-14(17(22)24)16(23)20-11-12-3-5-13(19)6-4-12/h3-8H,2,9-11H2,1H3,(H,20,23)
InChIKeyOGBXKHUJTZGECB-UHFFFAOYSA-N
XLogP1.91
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 146441958) is N-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is CCN1CCn2c(ccc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is OGBXKHUJTZGECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-2-21-9-10-22-15(18(21)25)8-7-14(17(22)24)16(23)20-11-12-3-5-13(19)6-4-12/h3-8H,2,9-11H2,1H3,(H,20,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 359.81 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-ethyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 146441958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).